2-[3,4-bis(fluoranyl)phenyl]sulfonyl-5-(1,4-diazepan-1-yl)-N-propyl-aniline

Systemtic Name: 2-[3,4-bis(fluoranyl)phenyl]sulfonyl-5-(1,4-diazepan-1-yl)-N-propyl-aniline Openeye Name: 5-(1,4-diazepan-1-yl)-2-(3,4-difluorophenyl)sulfonyl-N-propyl-aniline CAS Name: 5-(1,4-diazepan-1-yl)-2-(3,4-difluorophenyl)sulfonyl-N-propylaniline IUPAC Name: 5-(1,4-diazepan-1-yl)-2-(3,4-difluorophenyl)sulfonyl-N-propylaniline Traditional Name: [5-(1,4-diazepan-1-yl)-2-(3,4-difluorophenyl)sulfonyl-phenyl]-propyl-amine Formula: C20H25F2N3O2S MolecularWeight: 409.493206

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=CC(=C1)N2CCCNCC2)S(=O)(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

CCCNC1=C(C=CC(=C1)N2CCCNCC2)S(=O)(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C20H25F2N3O2S/c1-2-8-24-19-13-15(25-11-3-9-23-10-12-25)4-7-20(19)28(26,27)16-5-6-17(21)18(22)14-16/h4-7,13-14,23-24H,2-3,8-12H2,1H3